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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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40353 8143980 1 O2N4C17H25 A2B4C17D25 -42.49 2.26 0.0 0.0 0
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40354 8143981 1 O2N4C17H24 A2B4C17D24 -61.77 2.4 -8.25 0.06 1
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40355 8143982 1 SO2N4C20H25 AB2C4D20E25 -18.19 8.53 0.0 0.0 1
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40356 8143987 1 SN6C18H21 AB6C18D21 158.21 3.82 0.0 0.0 0
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40357 8143988 1 SN6C18H20 AB6C18D20 144.62 0.95 -8.54 -0.83 0
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40358 8143989 1 O2N3H17C18 A2B3C17D18 83.56 6.7 -8.55 -1.6 1
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40359 8143990 1 ClSO2N4C20H24 ABC2D4E20F24 -26.41 13.2 0.0 0.0 0
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40360 8143991 1 ClSO2N4C20H23 ABC2D4E20F23 -39.46 4.76 -9.03 -1.28 0
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40361 8143992 1 ClO2N3H18C24 AB2C3D18E24 50.79 6.34 -8.85 -1.05 0
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40362 8143993 1 NSO3H13C20 ABC3D13E20 -8.79 4.09 -9.08 -1.3 1
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40363 8143994 1 SN4C15H21 AB4C15D21 78.05 4.33 0.0 0.0 0
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40364 8143995 1 SN4C15H20 AB4C15D20 65.48 5.09 -8.05 0.25 1
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40365 8143996 1 SO2N4C17H25 AB2C4D17E25 -49.11 4.31 0.0 0.0 0
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40366 8143999 1 SN5C19H21 AB5C19D21 124.17 3.55 -8.29 -0.75 1
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40367 8144002 1 S2N5C21H26 A2B5C21D26 96.5 11.73 0.0 0.0 0
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40368 8144003 1 S2N5C21H25 A2B5C21D25 104.9 5.55 -8.28 -0.91 1
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40369 8144004 1 ClO2N4C16H22 AB2C4D16E22 -49.26 4.25 0.0 0.0 0
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40370 8144005 1 ClO2N4C16H21 AB2C4D16E21 -68.29 8.27 -9.27 -0.72 0
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40371 8144006 2 N2H9C10 A2B9C10 113.28 4.54 -7.78 -0.51 0
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40372 8144008 1 ClO2N3H18C19 AB2C3D18E19 -3.68 4.33 -8.59 -1.66 1
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40373 8144009 1 N4O4C18H27 A4B4C18D27 -112.44 7.99 0.0 0.0 0
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40374 8144010 2 N2O2C9H13 A2B2C9D13 -126.78 4.72 -8.61 -0.68 0
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40375 8144012 1 S2N5C21H25 A2B5C21D25 104.81 5.37 -8.33 -0.99 0
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40376 8144014 1 S2N5C20H23 A2B5C20D23 114.9 5.15 -8.2 -1.02 1
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40377 8144015 1 S2N5C22H28 A2B5C22D28 99.62 13.34 0.0 0.0 0
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40378 8144017 1 SN2O2H22C25 AB2C2D22E25 -2.68 5.45 -8.9 -0.72 0
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40379 8144018 1 BrO2N4C17H17 AB2C4D17E17 -6.46 5.18 -9.01 -0.86 1
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40380 8144019 1 SO2N4C22H29 AB2C4D22E29 -33.77 8.92 0.0 0.0 0
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40381 8144020 1 SO2N4C22H28 AB2C4D22E28 -52.79 4.51 -8.49 -0.67 1
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40382 8144021 1 FO2N3C19H19 AB2C3D19E19 -28.54 9.65 0.0 0.0 0
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40383 8144022 1 FO2N3H18C19 AB2C3D18E19 -40.9 4.31 -8.3 -1.69 0
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40384 8144023 1 SN2O2H22C25 AB2C2D22E25 -6.48 4.38 -8.94 -0.79 1
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40385 8144024 1 O2S2N4C19H25 A2B2C4D19E25 -26.36 5.62 0.0 0.0 0
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40386 8144025 1 O2S2N4C19H24 A2B2C4D19E24 -38.24 1.97 -8.6 -1.05 0
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40387 8144027 1 OS2N5C20H23 AB2C5D20E23 82.34 6.09 -8.2 -0.84 1
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40388 8144029 1 S2N5C20H24 A2B5C20D24 137.78 12.49 0.0 0.0 0
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40389 8144032 1 SN4O4C17H24 AB4C4D17E24 -154.67 7.87 -9.0 -1.28 1
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40390 8144033 1 OS2N5C20H24 AB2C5D20E24 73.61 12.06 0.0 0.0 0
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40391 8144035 1 N3O3C24H25 A3B3C24D25 -71.9 4.4 -8.64 -0.76 1
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40392 8144036 1 SO3N4C18H23 AB3C4D18E23 -50.74 6.58 0.0 0.0 0
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40393 8144037 1 SO3N4C18H22 AB3C4D18E22 -64.76 4.6 -8.55 -1.04 1
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40394 8144038 1 OSN6C19H23 ABC6D19E23 117.55 2.63 0.0 0.0 0
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40395 8144039 1 OSN6C19H22 ABC6D19E22 103.58 1.94 -8.36 -0.73 1
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40396 8144040 1 O3N4C18H23 A3B4C18D23 -40.72 10.26 0.0 0.0 1
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40397 8144045 1 SN5C20H24 AB5C20D24 123.73 5.1 0.0 0.0 0
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40398 8144046 1 SN5C20H23 AB5C20D23 111.93 4.54 -8.25 -0.62 0
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40399 8144048 1 S2N5C21H25 A2B5C21D25 106.18 6.18 -8.3 -0.88 1
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40400 8144049 1 SN6C18H23 AB6C18D23 118.48 3.12 0.0 0.0 0
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40401 8144050 1 SN6C18H22 AB6C18D22 102.18 3.49 -8.26 -1.04 1
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40402 8144054 1 ClOSN4C19H20 ABCD4E19F20 79.24 5.12 0.0 0.0 0